6VSX
 
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6VU4
 | | Structure of a beta-hairpin peptide mimic derived from Abeta 14-36 | | Descriptor: | Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION | | Authors: | Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S. | | Deposit date: | 2020-02-14 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.077 Å) | | Cite: | Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta.
J.Am.Chem.Soc., 142, 2020
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2A14
 | | Crystal Structure of Human Indolethylamine N-methyltransferase with SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, indolethylamine N-methyltransferase | | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-17 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Human Indolethylamine
N-methyltransferase in complex with SAH.
To be Published
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2AL7
 | | Structure Of Human ADP-Ribosylation Factor-Like 10C | | Descriptor: | ADP-ribosylation factor-like 10C, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Ismail, S, Dimov, S, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-04 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | GTP-like conformation of GDP-bound ARL10C GTPase
To be Published
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2AZA
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2B71
 | | Plasmodium yoelii cyclophilin-like protein | | Descriptor: | CHLORIDE ION, cyclophilin-like protein | | Authors: | Dong, A, Finerty, P, Wasney, G, Vedadi, M, Lew, J, Zhao, Y, Kozieradzki, I, Melone, M, Alam, Z, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-03 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AX4
 | | Crystal structure of the kinase domain of human 3'-phosphoadenosine 5'-phosphosulphate synthetase 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 2 | | Authors: | Rabeh, W.M, Nedyalkova, L, Ismail, S, Park, H, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-02 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the kinase domain of PAPSS 2
To be Published
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2AWP
 | | Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase | | Descriptor: | CHLORIDE ION, Iron Super-Oxide Dismutase, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-01 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AQW
 | | Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) | | Descriptor: | IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase | | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-18 | | Release date: | 2005-08-30 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2C27
 | | The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA. | | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside, ACETYL COENZYME *A, COENZYME A, ... | | Authors: | Vetting, M.W, Yu, M, Rendle, P.M, Blanchard, J.S. | | Deposit date: | 2005-09-26 | | Release date: | 2005-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Substrate-Induced Conformational Change of Mycobacterium Tuberculosis Mycothiol Synthase.
J.Biol.Chem., 281, 2006
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4U6S
 | | CtBP1 in complex with substrate phenylpyruvate | | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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6CTX
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dCTP analogue | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6CTV
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dCTP analogue | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6PHW
 | | SpAga D472N structure in complex with melibiose | | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-06-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
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6PLR
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with glycine in nanodisc, desensitized state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1, ... | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2021-07-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6PJ2
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65) | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide, 1,2-ETHANEDIOL, NS3 protease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PJF
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-44 | | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6D0L
 | | Structure of human TIRR | | Descriptor: | Tudor-interacting repair regulator protein | | Authors: | Cui, G, Botuyan, M.V, Mer, G. | | Deposit date: | 2018-04-10 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
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4U5T
 | | Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | | Authors: | Stagno, J.R, Ji, X. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
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6D0R
 | | Structure of a DNA retention-prone PCNA variant | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Kelch, B.A, Gaubitz, C. | | Deposit date: | 2018-04-10 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85856962 Å) | | Cite: | Effective mismatch repair depends on timely control of PCNA retention on DNA by the Elg1 complex.
Nucleic Acids Res., 47, 2019
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6D33
 | | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyribose-phosphate aldolase, GLYCEROL | | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | | Deposit date: | 2018-04-14 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
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6PG0
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-23 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PH0
 | | T4 lysozyme pseudo-wild type soaked in TEMPO | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin | | Authors: | Cuneo, M.J, Myles, D.A, Li, L. | | Deposit date: | 2019-06-25 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published
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6P94
 | | Human APE1 C65A AP-endonuclease product complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | | Deposit date: | 2019-06-09 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
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4U6Q
 | | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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